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[Feature Request] MD Engine Support (LAMMPS) for trained model with DMFF #87

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WangXinyan940 opened this issue Feb 20, 2023 · 0 comments
Open

[Feature Request] MD Engine Support (LAMMPS) for trained model with DMFF #87

WangXinyan940 opened this issue Feb 20, 2023 · 0 comments
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enhancement New feature or request

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@WangXinyan940
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Summary

Implement the communication of LAMMPS and DMFF trained model in c++ interface.

Motivation

Similar with #85 , supporting of popular MD engines would make cutting-edge forcefield easier to be implemented and tested. People can use DMFF with MD engines they are familiar with.

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@WangXinyan940